GD151531

Name:

[18-(1-hydroxy-2-methylprop-2-en-1-yl)-7-{[4-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,6,10,16-pentamethyl-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl]oxidanesulfonic acid

Formula:

C48H78O22S

Smiles:

C=C(C)C(O)C1CC(C)(OS(=O)(=O)O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

Aglycone:

C=C(C)C(O)C1CC(C)(OS(=O)(=O)O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0204815

AD60422

Formula: C30H48O8S

Smiles:

C=C(C)C(O)C1CC(C)(OS(=O)(=O)O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	4.65	Num_rotatable_bonds:	4
MolWt:	568.77	Num_heavy_atoms:	39
TPSA:	122.52	NumAromaticRings:	0